Geometry & MOs

Info

ID:	267358
PubChem CID:	103581993
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-39.23
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2CCC2

DOS

IR

Vibrations